Structure Information
Structure

Compound Identification

SMILES

BrCC1CN2C(O1)C(C(=O)NC2=O)C1=CC=CC=C1

InChIKey

InChIKey=DFDGSUXSGLUAGM-UHFFFAOYSA-N

Formula

C13H13BrN2O3

Mass

325.162

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidones

Direct Parent

Barbituric acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Barbiturate - N-acyl urea - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Oxazolidine - Carbonic acid derivative - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl bromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.

External Descriptors

Not available

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